#------------------------------------------------------------------------------
#$Date: 2021-12-22 05:13:15 +0200 (Wed, 22 Dec 2021) $
#$Revision: 271579 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/39/2243958.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2243958
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   5.4676
_cell_length_b                   5.4676
_cell_length_c                   3.1084
_exptl_crystal_F_000             204.00
_reflns_d_resolution_high        0.5500
_cod_data_source_file            wm5627Isup5.hkl
_cod_data_source_block           I
_shelx_title                     ' prrhb132_a.res in P6/mmm'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            144.73
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z'
'y, -x+y, z'
'x-y, x, z'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-y, -x, -z'
'-x+y, y, -z'
'x, x-y, -z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z'
'-y, x-y, -z'
'-x+y, -x, -z'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'y, x, z'
'x-y, -y, z'
'-x, -x+y, z'
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_calc
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_observed_status
0 1 0 83.00 107.36 3.51 o
-1 2 0 300.76 341.66 5.27 o
0 2 0 20947.78 21430.66 98.24 o
-1 3 0 72.04 72.20 1.65 o
0 3 0 184.04 201.02 8.19 o
-2 4 0 12958.18 13345.11 73.94 o
-1 4 0 47.14 44.04 1.55 o
0 4 0 9717.41 9237.64 62.33 o
-2 5 0 41.42 43.49 2.71 o
-1 5 0 89.46 85.43 3.19 o
0 5 0 32.09 30.92 2.71 o
-3 6 0 56.45 59.35 6.20 o
-2 6 0 6115.24 6283.69 41.54 o
-1 6 0 13.39 12.18 2.58 o
0 6 0 5215.52 4878.80 39.91 o
-3 7 0 12.91 13.68 2.80 o
-2 7 0 41.90 50.61 3.83 o
-1 7 0 6.17 7.13 2.69 o
0 7 0 8.60 8.62 4.44 o
-4 8 0 3781.44 3801.88 60.70 o
-3 8 0 2.22 2.75 2.18 o
-2 8 0 3160.07 3014.63 37.29 o
-1 8 0 8.19 9.50 2.55 o
0 8 0 2389.94 2530.11 53.30 o
-4 9 0 3.47 3.71 2.74 o
-3 9 0 9.37 13.50 4.05 o
-2 9 0 3.48 5.16 3.19 o
-1 9 0 0.86 2.18 4.16 o
0 0 1 2977.72 3548.25 33.94 o
0 1 1 6216.64 6061.43 14.46 o
-1 2 1 6252.86 6222.78 27.35 o
0 2 1 2683.58 2783.67 25.01 o
-1 3 1 3927.84 4007.57 25.91 o
0 3 1 4047.14 3953.68 21.76 o
-2 4 1 1279.48 1390.83 9.30 o
-1 4 1 2861.58 2853.97 17.89 o
0 4 1 1363.05 1320.50 24.85 o
-2 5 1 2141.10 2222.20 12.46 o
-1 5 1 2363.06 2343.93 14.13 o
0 5 1 1684.96 1692.53 16.01 o
-3 6 1 1951.39 2024.60 14.71 o
-2 6 1 957.34 1001.56 8.05 o
-1 6 1 1454.05 1408.01 13.19 o
0 6 1 655.26 647.58 10.53 o
-3 7 1 1160.66 1192.28 12.07 o
-2 7 1 1255.56 1194.26 15.64 o
-1 7 1 1004.80 1006.76 9.88 o
0 7 1 794.55 777.18 13.59 o
-4 8 1 539.78 531.07 15.88 o
-3 8 1 890.28 887.88 15.36 o
-2 8 1 612.05 631.03 9.71 o
-1 8 1 833.06 819.75 12.73 o
0 8 1 497.83 530.07 13.33 o
-4 9 1 595.34 601.93 11.94 o
-3 9 1 680.41 685.76 11.79 o
-2 9 1 500.10 507.44 10.34 o
0 0 2 14378.22 12996.73 85.88 o
0 1 2 84.86 75.63 2.33 o
-1 2 2 176.55 163.30 2.76 o
0 2 2 10436.26 10182.63 30.00 o
-1 3 2 61.23 59.84 1.33 o
0 3 2 136.24 128.61 3.04 o
-2 4 2 7975.07 8080.15 60.17 o
-1 4 2 40.06 51.35 4.57 o
0 4 2 6295.44 6127.54 22.17 o
-2 5 2 33.54 32.65 1.29 o
-1 5 2 69.81 67.58 1.87 o
0 5 2 25.53 25.22 2.26 o
-3 6 2 44.31 43.47 2.42 o
-2 6 2 4334.66 4280.89 36.42 o
-1 6 2 11.16 11.01 1.35 o
0 6 2 3810.98 3762.70 35.20 o
-3 7 2 10.81 9.63 1.39 o
-2 7 2 33.31 31.91 1.88 o
-1 7 2 5.60 8.60 1.43 o
0 7 2 7.76 11.21 2.64 o
-4 8 2 2830.78 2875.20 44.53 o
-3 8 2 2.30 3.70 1.35 o
-2 8 2 2378.86 2429.84 25.85 o
-1 8 2 7.66 7.75 1.73 o
0 8 2 1820.94 1935.27 29.53 o
-4 9 2 3.63 3.92 1.55 o
-3 9 2 8.79 8.88 1.96 o
0 0 3 644.35 629.82 13.65 o
0 1 3 1984.39 1915.38 16.01 o
-1 2 3 2178.46 2136.29 23.82 o
0 2 3 764.04 752.18 7.46 o
-1 3 3 1585.96 1561.74 12.55 o
0 3 3 1736.99 1682.43 10.87 o
-2 4 3 483.75 481.97 8.95 o
-1 4 3 1313.77 1286.00 7.52 o
0 4 3 588.86 590.67 6.39 o
-2 5 3 1064.25 1044.96 7.07 o
-1 5 3 1204.87 1172.21 9.04 o
0 5 3 883.43 879.37 10.99 o
-3 6 3 1039.84 977.51 12.13 o
-2 6 3 480.81 487.28 5.45 o
-1 6 3 791.74 778.88 8.78 o
0 6 3 338.18 338.68 7.80 o
-3 7 3 651.30 635.39 8.38 o
-2 7 3 709.92 697.43 9.75 o
-1 7 3 576.86 565.17 7.61 o
0 7 3 465.69 466.39 13.75 o
-4 8 3 283.07 284.99 29.02 o
-3 8 3 520.37 484.81 13.69 o
-2 8 3 323.29 299.33 10.28 o
0 0 4 3991.63 3890.43 57.55 o
0 1 4 40.46 41.23 2.87 o
-1 2 4 77.34 78.54 3.88 o
0 2 4 3238.54 3140.32 51.38 o
-1 3 4 29.69 28.20 1.86 o
0 3 4 61.51 60.82 3.39 o
-2 4 4 2889.93 2966.28 83.34 o
-1 4 4 20.42 19.80 1.55 o
0 4 4 2382.58 2359.06 19.13 o
-2 5 4 17.78 21.06 1.76 o
-1 5 4 34.65 37.46 2.25 o
0 5 4 14.71 13.71 2.42 o
-3 6 4 24.05 25.93 3.24 o
-2 6 4 1798.34 1774.99 23.24 o
-1 6 4 8.04 8.70 1.79 o
0 6 4 1637.52 1737.25 31.63 o
-3 7 4 8.28 12.71 6.14 o
0 0 5 141.01 137.76 12.62 o
0 1 5 561.96 606.52 14.03 o
-1 2 5 636.36 661.12 14.64 o
0 2 5 186.61 192.47 8.68 o
-1 3 5 483.79 514.56 9.66 o
0 3 5 540.71 561.15 14.55 o
-2 4 5 122.69 118.16 5.50 o
-1 4 5 423.93 435.87 8.21 o